6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H22N4O — CID 80685808

IUPAC6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCc1ncn(C)n1
InChIInChI=1S/C16H22N4O/c1-20-11-18-16(19-20)8-9-17-15-5-3-4-12-10-13(21-2)6-7-14(12)15/h6-7,10-11,15,17H,3-5,8-9H2,1-2H3
InChIKeyYHXWZMMYYLBZGQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.03
Rot. Bonds5

About 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine

6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 80685808) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID80685808
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1ccc2c(c1)CCCC2NCCc1ncn(C)n1
InChIInChI=1S/C16H22N4O/c1-20-11-18-16(19-20)8-9-17-15-5-3-4-12-10-13(21-2)6-7-14(12)15/h6-7,10-11,15,17H,3-5,8-9H2,1-2H3
InChIKeyYHXWZMMYYLBZGQ-UHFFFAOYSA-N
XLogP2.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine with MolForge

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Related Compounds

2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
6-methoxy-N-(2-thiomorpholin-4-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103783282
3-[[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propanenitrile
CID 28728583
6-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63239039
6-methoxy-N-(5-methylhexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115324453
methyl 4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butanoate
CID 60782387
6-methoxy-N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115728733
3-[[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]pentan-3-ol
CID 65105549
7-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103931495
1-[4-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]butyl]pyridin-2-one
CID 91644766
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 80685808) is 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1ccc2c(c1)CCCC2NCCc1ncn(C)n1.
What is the InChIKey of 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YHXWZMMYYLBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-20-11-18-16(19-20)8-9-17-15-5-3-4-12-10-13(21-2)6-7-14(12)15/h6-7,10-11,15,17H,3-5,8-9H2,1-2H3.
What are the key properties of 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 286.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 80685808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).